2-benzyl-5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one | 225666-85-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-benzyl-5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one
• 英文别名: K-832；2-benzyl-5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazine-3-one；5-(4-chlorophenyl)-6-(4-methylthiophenyl)-2-benzyl-2H-pyridazin-3-one；2-Benzyl-5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one
• CAS: 225666-85-3
• 化学式: C₂₄H₁₉ClN₂OS
• 分子量: 418.947
• InChiKey: HEUAVAATAFEENP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  58
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-benzyl-5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 水 为溶剂， 以88.4%的产率得到2-benzyl-5-(4-chlorophenyl)-6-[4-(methylsulfinyl)phenyl]-2H-pyridazin-3-one
  参考文献：
  名称：

  Pyridazine compounds and compositions containing the same

  摘要：

  这项发明涉及由式（1）表示的吡啶嗪衍生物： 其中R1代表（取代的）芳基，R2代表在4位被低烷氧基或低烷硫基取代的苯基，R3代表低烷氧基、卤代低烷基、低环烷基、（取代的）芳基、（取代的）芳氧基、（取代的）含氮杂环环残基、（取代的）氨基羰基或低烷基羰基，A代表单键、低烷基烯基或低烷烯基，X代表O或S，虚线表示4位和5位之间的碳-碳键为单键或双键，或其盐；以及含有它们作为有效成分的药物。这些化合物对白细胞介素-1β的产生具有出色的抑制活性，并可用作免疫系统疾病、炎症性疾病、缺血性疾病等的预防和治疗药物。

  公开号：

  US06348468B1
• 作为产物：
  描述：

  5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one 以86.8的产率得到2-benzyl-5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one
  参考文献：
  名称：

  Pyridazine compounds and compositions containing the same

  摘要：

  本发明涉及由公式（1）表示的吡嗪衍生物：其中，R1表示（取代）芳基基团，R2表示在4位被低碳基氧基团或低碳基硫基团取代的苯基基团，R3表示低碳基氧基团、卤代低碳基基团、低环己基基团、（取代）芳基基团、（取代）芳氧基基团、（取代）含氮杂环环残基、（取代）氨基羰基团或低碳基羰基团，A表示单键、低碳基亚烷基或低碳基烯烃基，X表示O或S，虚线表示4位和5位之间的碳-碳键为单键或双键，或其盐；以及包含它们作为有效成分的药物。这些化合物对白细胞介素-1β的产生具有优异的抑制活性，并且可用作预防和治疗免疫系统疾病、炎症性疾病、缺血性疾病等。

  公开号：

  US06348468B1

文献信息

• Novel pyridazine derivatives and medicines containing the same as effective ingredients
  申请人：Ohkuchi Masao

  公开号：US20050267113A1

  公开（公告）日：2005-12-01

  This invention relates to pyridazine derivatives represented by the formula (1): wherein R 1 represents a (substituted) aryl group, R 2 represents a phenyl group substituted at 4 -position by a lower alkoxyl group or a lower alkylthio group, R 3 represents a lower alkoxyl group, a halogenated lower alkyl group, a lower cycloalkyl group, a (subsituted) aryl group, a (substituted) aryloxy group, a (substituted) nitrogen-containing heterocyclic ring residue, a (substituted) aminocarbonyl group or a lower alkylcarbonyl group, A represents a single bond, a lower alkylene group or a lower alkenylene group, X represents O or S, and the dashed line indicates that the carbon-carbon bond between the 4 -position and the 5 -position is a single bond or a double bond, or salts thereof; and also to medicines containing them as effective ingredients. These compounds have excellent inhibitory activity against interleukin- 1 β production, and are useful as preventives and therapeutics for immmune system diseases, inflammatory diseases, ischemic diseases and the like.

  本发明涉及由式（1）表示的吡嗪衍生物：其中R1表示（取代）芳基基团，R2表示在4-位被低烷氧基基团或低烷硫基基团取代的苯基基团，R3表示低烷氧基基团、卤代低烷基基团、低环烷基基团、（取代）芳基基团、（取代）芳氧基基团、（取代）含氮杂环环残基、（取代）氨基甲酰基或低烷基甲酰基，A表示单键、低烷基亚ethylene基或低烷基亚烯基，X表示O或S，虚线表示4-位和5-位之间的碳-碳键为单键或双键，或其盐；以及包含它们作为有效成分的药物。这些化合物对白细胞介素-1β的产生有出色的抑制活性，并且可用作免疫系统疾病、炎症性疾病、缺血性疾病等的预防和治疗。
• PREVENTIVE AND/OR THERAPEUTIC AGENT FOR RHEUMATOID ARTHRITIS
  申请人：Tabunoki Yuichiro

  公开号：US20090018121A1

  公开（公告）日：2009-01-15

  The present invention relates to a preventive and/or therapeutic agent for rheumatoid arthritis. The present invention provides a preventive and/or therapeutic agent for rheumatoid arthritis containing 2-benzyl-5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one and a COX2 inhibitor.

  本发明涉及一种用于类风湿性关节炎的预防和/或治疗药剂。本发明提供了一种含有2-苄基-5-(4-氯苯基)-6-[4-(甲硫基)苯基]-2H-吡啶并[3,2-b][1,4]噻二唑-3-酮和COX2抑制剂的类风湿性关节炎预防和/或治疗药剂。
• NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS
  申请人：OHKUCHI Masao

  公开号：US20090270399A1

  公开（公告）日：2009-10-29

  This invention relates to pyridazine derivatives represented by the formula (1): wherein R 1 represents a (substituted) aryl group, R 2 represents a phenyl group substituted at 4-position by a lower alkoxyl, group or a lower alkylthio group, R 3 represents a lower alkoxyl group, a halogenated lower alkyl group, a lower cycloalkyl group, a (substituted) aryl group, a (substituted) aryloxy group, a (substituted) nitrogen-containing heterocyclic ring residue, a (substituted) aminocarbonyl group or a lower alkylcarbonyl group, A represents a single bond, a lower alkylene group or a lower alkenylene group, X represents O or S, and the dashed line indicates that the carbon-carbon bond between the 4-position and the 5-position is a single bond or a double bond, or salts thereof; and also to medicines containing them as effective ingredients. These compounds have excellent inhibitory activity against interleukin-1β production, and are useful as preventives and therapeutics for immune system diseases, inflammatory diseases, ischemic diseases and the like.

  本发明涉及由式（1）表示的吡嗪衍生物： 其中R1表示（取代的）芳基基团，R2表示在4位被低烷氧基团或低烷硫基团取代的苯基基团，R3表示低烷氧基团、卤代的低烷基团、低环烷基团、（取代的）芳基基团、（取代的）芳氧基基团、（取代的）含氮杂环环残基、（取代的）氨基甲酰基团或低烷基甲酰基团，A表示单键、低烷基烷基或低烯基烷基，X表示O或S，虚线表示4位和5位之间的碳-碳键为单键或双键，或其盐；以及含有它们作为有效成分的药物。这些化合物具有优异的抑制白细胞介素-1β产生的活性，可用作预防和治疗免疫系统疾病、炎症性疾病、缺血性疾病等。
• Preventive and/or Therapeutic Medicine for Rheumatoid Arthritis
  申请人：Tabunoki Yuichiro

  公开号：US20070270431A1

  公开（公告）日：2007-11-22

  The present invention relates to a preventive and/or therapeutic medicine for rheumatoid arthritis containing 2-benzyl-5-(4-chlorophenyl-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one and methotrexate. The medicine of the present invention can be administered orally and exhibits suppressed side effects and excellent potency for suppression of arthritis.

  本发明涉及一种预防和/或治疗类风湿性关节炎的药物，其含有2-苄基-5-(4-氯苯基-6-[4-(甲硫基)苯基]-2H-吡啶并[3,2-b][1,4]噻唑-3-酮)和甲氨蝶呤。本发明的药物可以口服，具有抑制关节炎的优异效能和抑制副作用的特点。
• PROPHYLACTIC AND/OR THERAPEUTIC METHOD FOR RHEUMATOID ARTHRITIS
  申请人：Tabunoki Yuichiro

  公开号：US20090281106A1

  公开（公告）日：2009-11-12

  The present invention provides a prophylactic and/or therapeutic agent for rheumatoid arthritis comprising 2-benzyl-5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one and leflunomide in combination. The prophylactic and/or therapeutic agent of the present invention can be administered orally, exhibits an excellent arthritis suppressive effect with fewer side effects, and is therefore useful for the prophylaxis and/or treatment of rheumatoid arthritis.

  本发明提供了一种预防和/或治疗类风湿性关节炎的药物，其包括2-苄基-5-(4-氯苯基)-6-[4-(甲硫基)苯基]-2H-吡啶并[3,2-d][1,3]恶唑酮和来氟米特的组合物。本发明的预防和/或治疗剂可以口服给药，具有出色的关节炎抑制作用，副作用更少，因此对于预防和/或治疗类风湿性关节炎非常有用。